methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate

C9H10O4 — CID 88821201

IUPACmethyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate
SMILESC#CC(OC(=O)C(=C)C)C(=O)OC
InChIInChI=1S/C9H10O4/c1-5-7(9(11)12-4)13-8(10)6(2)3/h1,7H,2H2,3-4H3
InChIKeyGCTSAYNGDHHPPG-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.28
Rot. Bonds3

About methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate

methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate (PubChem CID 88821201) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate.

Molecular Properties

Compound Namemethyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate
PubChem CID88821201
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Namemethyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate
SMILESC#CC(OC(=O)C(=C)C)C(=O)OC
InChIInChI=1S/C9H10O4/c1-5-7(9(11)12-4)13-8(10)6(2)3/h1,7H,2H2,3-4H3
InChIKeyGCTSAYNGDHHPPG-UHFFFAOYSA-N
XLogP0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
diaminomethyl 2-methylprop-2-enoate
CID 18522879
dimethyl 2-(2-methylprop-2-enoyloxy)butanedioate
CID 89116228
propan-2-yl 2-methylprop-2-enoate
CID 146421311
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
[2-(tert-butylamino)-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 22750442
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate?
The IUPAC name of methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate (CID 88821201) is methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate.
What is the SMILES notation for methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate?
The canonical SMILES for methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate is C#CC(OC(=O)C(=C)C)C(=O)OC.
What is the InChIKey of methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate?
The InChIKey is GCTSAYNGDHHPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-5-7(9(11)12-4)13-8(10)6(2)3/h1,7H,2H2,3-4H3.
What are the key properties of methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate?
methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate has a molecular weight of 182.17 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylprop-2-enoyloxy)but-3-ynoate is sourced from PubChem (CID 88821201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).